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edits
Problems: Difference between revisions
→IDXREF print !!! WARNING !!! message
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and then continue to run XDS. In other cases you may want to change SPOT.XDS, or other keywords in [[XDS.INP]] (see also below). But in any case this is an important alert that should make you check the correctness of the parameters that describe the data collection (X-RAY_WAVELENGTH, DETECTOR_DISTANCE, ORGX, ORGY, OSCILLATION_RANGE, NAME_TEMPLATE_OF_DATA_FRAMES). | and then continue to run XDS. In other cases you may want to change SPOT.XDS, or other keywords in [[XDS.INP]] (see also below). But in any case this is an important alert that should make you check the correctness of the parameters that describe the data collection (X-RAY_WAVELENGTH, DETECTOR_DISTANCE, ORGX, ORGY, OSCILLATION_RANGE, NAME_TEMPLATE_OF_DATA_FRAMES). | ||
=== IDXREF | === IDXREF prints !!! WARNING !!! message === | ||
If you see | If you see | ||
!!! WARNING !!! REFINEMENT DID NOT CONVERGE | !!! WARNING !!! REFINEMENT DID NOT CONVERGE | ||
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REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE | REFINE(IDXREF)=CELL BEAM ORIENTATION AXIS ! DISTANCE | ||
i.e. remove DISTANCE from the list of refinable parameters. Once that is done, save XDS.INP and re-run the IDXREF step. | i.e. remove DISTANCE from the list of refinable parameters. Once that is done, save XDS.INP and re-run the IDXREF step. | ||
This problem occurs if the DISTANCE is large, and XDS cannot refine it meaningfully. | |||
=== IDXREF.LP does not show the expected lattice === | === IDXREF.LP does not show the expected lattice === | ||